UCSF

ZINC37811657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.33 3.71 -16.12 2 6 0 76 293.367 7
Mid Mid (pH 6-8) -2.33 4.08 -42.73 3 6 1 77 294.375 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )